Cas no 366016-71-9 (1,2-Propanediol, 3-(1H-imidazol-2-yl)-)
366016-71-9 structure
Product Name:1,2-Propanediol, 3-(1H-imidazol-2-yl)-
CAS No:366016-71-9
MF:C6H10N2O2
MW:142.155801296234
CID:1477847
Update Time:2024-08-23
1,2-Propanediol, 3-(1H-imidazol-2-yl)- Chemical and Physical Properties
Names and Identifiers
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- 1,2-Propanediol, 3-(1H-imidazol-2-yl)-
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- Inchi： 1S/C6H10N2O2/c9-4-5(10)3-6-7-1-2-8-6/h1-2,5,9-10H,3-4H2,(H,7,8)
- InChI Key： LSIAFBPICWRWLE-UHFFFAOYSA-N
- SMILES： C(O)C(O)CC1NC=CN=1
Computed Properties
- Exact Mass: 142.0743
- Monoisotopic Mass: 142.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 99.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 69.1A^2
Experimental Properties
- Density: 1.345±0.06 g/cm3(Predicted)
- Boiling Point: 499.5±35.0 °C(Predicted)
- PSA: 69.14
- pka: 13.72±0.20(Predicted)
1,2-Propanediol, 3-(1H-imidazol-2-yl)- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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